4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide

C22H24N4O4S2 — CID 50739495

IUPAC4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC4CCCC4)cc3)cc2)s1
InChIInChI=1S/C22H24N4O4S2/c1-2-20-24-25-22(31-20)26-32(28,29)19-13-9-16(10-14-19)23-21(27)15-7-11-18(12-8-15)30-17-5-3-4-6-17/h7-14,17H,2-6H2,1H3,(H,23,27)(H,25,26)
InChIKeyVFVJUHYTJQOTQK-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.47
Rot. Bonds8

About 4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide

4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 50739495) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID50739495
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC Name4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC4CCCC4)cc3)cc2)s1
InChIInChI=1S/C22H24N4O4S2/c1-2-20-24-25-22(31-20)26-32(28,29)19-13-9-16(10-14-19)23-21(27)15-7-11-18(12-8-15)30-17-5-3-4-6-17/h7-14,17H,2-6H2,1H3,(H,23,27)(H,25,26)
InChIKeyVFVJUHYTJQOTQK-UHFFFAOYSA-N
XLogP4.47
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 3312448
N-(4-cyclopentyloxyphenyl)-4-(methylsulfamoyl)benzamide
CID 38455287
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 16831933
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16804484
N-(4-cyclopentyloxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 36566720
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1244336
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-4-(2-imidazol-1-ylethylamino)benzamide
CID 146099329
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
4-cyclopentyloxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 55606378
3-(1,3-dioxoisoindol-2-yl)-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide
CID 25046005
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 155967978
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30580999

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide (CID 50739495) is 4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC4CCCC4)cc3)cc2)s1.
What is the InChIKey of 4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is VFVJUHYTJQOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-2-20-24-25-22(31-20)26-32(28,29)19-13-9-16(10-14-19)23-21(27)15-7-11-18(12-8-15)30-17-5-3-4-6-17/h7-14,17H,2-6H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide?
4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 472.59 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 50739495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).